Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H17BrN4/c1-16(2,3)20-15-14(11-6-4-5-7-12(11)17)19-13-10-18-8-9-21(13)15/h4-10,20H,1-3H3
SMILES Brc1ccccc1c1nc2n(c1NC(C)(C)C)ccnc2
InChI Key FDKYXFKVWISCIL-UHFFFAOYSA-N
Molecular Formula C16H17BrN4
Exact Mass 345.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FDKYXFKVWISCIL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FDKYXFKVWISCIL-UHFFFAOYSA-N/CHMO0000593
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:19:33.429783
MetadataModified 2024-09-08T00:17:47.600081
MetadataPublished 2023-01-23
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
166451854 PubChem
The data in this table is sourced from UniChem at EBI.